N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide

C14H20N2O3 — CID 42948482

IUPACN-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(NC(=O)COC)cc1
InChIInChI=1S/C14H20N2O3/c1-4-10(2)14(18)16-12-7-5-11(6-8-12)15-13(17)9-19-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyGYBOSSZQJGPSCX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.26
Rot. Bonds6

About N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide

N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide (PubChem CID 42948482) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
PubChem CID42948482
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(NC(=O)COC)cc1
InChIInChI=1S/C14H20N2O3/c1-4-10(2)14(18)16-12-7-5-11(6-8-12)15-13(17)9-19-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyGYBOSSZQJGPSCX-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349
acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide
CID 154915033
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
methyl 4-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 838061
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate
CID 46512060
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
N-[4-(1-cyclopropylpropylamino)phenyl]-2-methoxyacetamide
CID 64920329

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide (CID 42948482) is N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(NC(=O)COC)cc1.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide?
The InChIKey is GYBOSSZQJGPSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-10(2)14(18)16-12-7-5-11(6-8-12)15-13(17)9-19-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide?
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide has a molecular weight of 264.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide is sourced from PubChem (CID 42948482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).